N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline

C80H70N4 — CID 146251465

IUPACN-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)c(-c5cccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccc(C)cc8C)cc7)cc6)c6ccc(C)cc6C)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C80H70N4/c1-55-17-34-69(35-18-55)81(70-36-19-56(2)20-37-70)72-41-26-63(27-42-72)64-28-43-73(44-29-64)82(71-38-21-57(3)22-39-71)77-40-25-60(6)78(54-77)67-13-12-16-76(53-67)84(80-50-24-59(5)52-62(80)8)75-47-32-66(33-48-75)65-30-45-74(46-31-65)83(68-14-10-9-11-15-68)79-49-23-58(4)51-61(79)7/h9-54H,1-8H3
InChIKeyBMRLBDXOBUIOKF-UHFFFAOYSA-N
MW1087.47 g/mol
LogP23.03
Rot. Bonds15

About N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline

N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline (PubChem CID 146251465) has the molecular formula C80H70N4 and a molecular weight of 1087.47 g/mol. Its IUPAC name is N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
PubChem CID146251465
Molecular FormulaC80H70N4
Molecular Weight1087.47 g/mol
Exact Mass1086.56
IUPAC NameN-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)c(-c5cccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccc(C)cc8C)cc7)cc6)c6ccc(C)cc6C)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C80H70N4/c1-55-17-34-69(35-18-55)81(70-36-19-56(2)20-37-70)72-41-26-63(27-42-72)64-28-43-73(44-29-64)82(71-38-21-57(3)22-39-71)77-40-25-60(6)78(54-77)67-13-12-16-76(53-67)84(80-50-24-59(5)52-62(80)8)75-47-32-66(33-48-75)65-30-45-74(46-31-65)83(68-14-10-9-11-15-68)79-49-23-58(4)51-61(79)7/h9-54H,1-8H3
InChIKeyBMRLBDXOBUIOKF-UHFFFAOYSA-N
XLogP23.03
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.47
LogP ≤ 523.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline?
The IUPAC name of N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline (CID 146251465) is N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline.
What is the SMILES notation for N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline?
The canonical SMILES for N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)c(-c5cccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccc(C)cc8C)cc7)cc6)c6ccc(C)cc6C)c5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline?
The InChIKey is BMRLBDXOBUIOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H70N4/c1-55-17-34-69(35-18-55)81(70-36-19-56(2)20-37-70)72-41-26-63(27-42-72)64-28-43-73(44-29-64)82(71-38-21-57(3)22-39-71)77-40-25-60(6)78(54-77)67-13-12-16-76(53-67)84(80-50-24-59(5)52-62(80)8)75-47-32-66(33-48-75)65-30-45-74(46-31-65)83(68-14-10-9-11-15-68)79-49-23-58(4)51-61(79)7/h9-54H,1-8H3.
What are the key properties of N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline?
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline has a molecular weight of 1087.47 g/mol, XLogP of 23.03, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline is sourced from PubChem (CID 146251465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).